Crystallography Open Database

Information card for entry 4067708

Preview

Coordinates	4067708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cl6 F N O Pt S
Calculated formula	C16 H18 Cl6 F N O Pt S
SMILES	[Pt]1(Cl)([n]2c(cccc2c2ccc(F)cc12)CC)(Cl)(Cl)[O]=S(C)C.C(Cl)(Cl)Cl
Title of publication	Platinum(IV) DMSO Complexes: Synthesis, Isomerization, and Agostic Intermediates
Authors of publication	Crosby, Sarah H.; Clarkson, Guy J.; Deeth, Robert J.; Rourke, Jonathan P.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	8
Pages of publication	1966
a	8.1883 ± 0.0001 Å
b	13.9875 ± 0.0003 Å
c	19.7052 ± 0.0004 Å
α	90°
β	101.853 ± 0.001°
γ	90°
Cell volume	2208.79 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178568 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/77.	4067708.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067708.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067708.cif
34274	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067707, 4067708, 4067709, 4067710 via cif-deposit CGI script.	4067708.cif